CID 341160

436091-57-5

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CC1=CC(=NO1)NC(=O)CSCC(=O)O
InChI
InChI=1S/C8H10N2O4S/c1-5-2-6(10-14-5)9-7(11)3-15-4-8(12)13/h2H,3-4H2,1H3,(H,12,13)(H,9,10,11)
InChIKey
NCHMGTZBZZBPEW-UHFFFAOYSA-N
Compound name
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

230.03613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 150.6
[M+Na]+ 253.02535 158.1
[M+NH4]+ 248.06995 155.9
[M+K]+ 268.99929 155.5
[M-H]- 229.02885 150.4
[M+Na-2H]- 251.01080 151.8
[M]+ 230.03558 151.5
[M]- 230.03668 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe